#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h3j s SER 2 N 0.00 2.50 -0.42 6.12 0.01 -1.26 -5.10 113.70 115.55 2h3j s SER 2 Ca 0.00 -0.44 -0.24 0.00 1.31 0.00 0.00 55.95 56.58 2h3j s SER 2 Cb 0.00 -0.99 0.02 0.00 0.21 0.00 0.00 66.02 65.26 2h3j s SER 2 CO 0.00 -0.10 0.86 0.00 0.41 0.00 0.00 173.24 174.40 2h3j s ALA 3 N 1.60 3.32 0.05 1.44 0.00 -1.26 -5.03 121.76 121.89 2h3j s ALA 3 Ca 0.04 -0.76 -0.20 0.00 0.00 0.00 0.00 51.96 51.04 2h3j s ALA 3 Cb -0.13 -3.52 -0.06 0.00 0.00 0.00 0.00 23.12 19.41 2h3j s ALA 3 CO -0.09 -1.82 0.60 -0.51 0.00 0.00 0.00 175.76 173.94 2h3j s LEU 4 N 3.44 4.49 -0.06 0.00 1.02 -1.26 -5.04 118.68 121.26 2h3j s LEU 4 Ca 0.34 1.26 -0.27 0.00 0.02 0.00 0.00 54.13 55.48 2h3j s LEU 4 Cb -0.12 -2.95 -0.03 0.00 0.02 0.00 0.00 46.19 43.12 2h3j s LEU 4 CO 0.22 0.19 0.87 -1.10 0.02 0.00 0.00 176.35 176.55 2h3j s GLN 5 N -0.72 4.46 0.09 1.70 -0.21 -1.26 -4.96 119.66 118.76 2h3j s GLN 5 Ca 0.31 1.17 -0.31 0.00 0.02 0.00 0.00 55.36 56.55 2h3j s GLN 5 Cb -0.19 -3.49 -0.10 0.00 1.00 0.00 0.00 33.01 30.24 2h3j s GLN 5 CO 0.19 -0.09 1.83 -2.14 -2.12 0.00 0.00 175.29 172.96 2h3j s PRO 6 N 1.26 4.15 0.00 2.91 0.02 -1.26 -4.93 135.00 137.15 2h3j s PRO 6 Ca 0.45 2.55 0.00 0.00 0.02 0.00 0.00 61.00 64.02 2h3j s PRO 6 Cb -0.19 -3.72 0.00 0.00 0.02 0.00 0.00 34.50 30.61 2h3j s PRO 6 CO 0.21 -0.85 0.00 0.45 -0.33 0.00 0.00 177.00 176.48 2h3j n SER 7 N 6.09 0.00 -4.99 2.53 2.88 -1.22 -4.99 113.62 113.93 2h3j n SER 7 Ca 0.18 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.52 2h3j n SER 7 Cb 0.39 -0.12 0.03 0.00 -0.75 0.00 0.00 64.21 63.76 2h3j n SER 7 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2h3j s ARG 8 N -0.30 2.66 -0.00 -1.46 0.52 -1.26 -4.92 118.95 114.19 2h3j s ARG 8 Ca 0.00 -0.96 -0.00 0.00 -0.52 0.00 0.00 55.73 54.24 2h3j s ARG 8 Cb 0.00 -2.60 0.00 0.00 0.52 0.00 0.00 34.95 32.87 2h3j s ARG 8 CO 0.00 -0.54 0.01 0.45 0.02 0.00 0.00 175.30 175.24 2h3j s SER 9 N -4.39 -0.00 -0.11 0.23 0.15 -1.26 -1.10 113.70 107.21 2h3j s SER 9 Ca 0.56 0.01 0.03 0.00 0.70 0.00 0.00 55.95 57.25 2h3j s SER 9 Cb -0.10 0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.24 2h3j s SER 9 CO 0.36 -0.01 -0.22 -0.31 1.20 0.00 0.00 173.24 174.26 2h3j s TYR 10 N -0.04 2.45 0.10 3.44 1.51 0.51 -1.23 117.35 124.10 2h3j s TYR 10 Ca -0.00 -1.08 -0.02 0.00 -1.01 0.00 0.00 57.07 54.96 2h3j s TYR 10 Cb -0.00 -1.66 -0.05 0.00 -0.11 0.00 0.00 41.96 40.14 2h3j s TYR 10 CO -0.00 -0.46 0.29 1.03 -1.11 0.00 0.00 175.55 175.30 2h3j s ARG 11 N 0.54 3.53 -0.31 -0.62 0.52 0.21 -0.27 118.95 122.55 2h3j s ARG 11 Ca -0.15 -0.27 -0.22 0.00 -0.52 0.00 0.00 55.73 54.58 2h3j s ARG 11 Cb -0.17 -2.95 -0.00 0.00 0.52 0.00 0.00 34.95 32.35 2h3j s ARG 11 CO 0.05 0.54 0.73 0.42 0.02 0.00 0.00 175.30 177.06 2h3j s ILE 12 N -1.58 4.85 -0.27 1.52 1.01 0.02 0.24 121.20 126.99 2h3j s ILE 12 Ca 0.38 1.05 0.22 0.00 0.00 0.00 0.00 60.65 62.30 2h3j s ILE 12 Cb -0.13 -4.09 -0.15 0.00 0.01 0.00 0.00 42.46 38.10 2h3j s ILE 12 CO 0.26 -0.21 0.83 1.07 0.00 0.00 0.00 174.94 176.90 2h3j n THR 13 N 5.48 0.28 -3.66 2.92 5.66 -0.22 -0.11 114.28 124.63 2h3j n THR 13 Ca 0.02 -0.45 0.00 0.00 -3.05 0.00 0.00 64.05 60.57 2h3j n THR 13 Cb 0.48 -0.06 0.00 0.00 -1.55 0.00 0.00 70.33 69.21 2h3j n THR 13 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2h3j n GLY 14 N 1.26 -0.65 3.82 1.09 0.00 -1.16 -4.79 105.19 104.75 2h3j n GLY 14 Ca -0.01 -0.96 -0.23 0.00 0.00 0.00 0.00 46.02 44.82 2h3j n GLY 14 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2h3j s TYR 15 N -3.00 3.12 0.20 1.61 1.51 -1.26 -0.92 117.35 118.61 2h3j s TYR 15 Ca 0.00 -0.08 -0.32 0.00 -1.01 0.00 0.00 57.07 55.66 2h3j s TYR 15 Cb 0.00 -1.44 -0.14 0.00 -0.11 0.00 0.00 41.96 40.27 2h3j s TYR 15 CO 0.00 0.52 1.32 0.45 -1.11 0.00 0.00 175.55 176.73 2h3j n SER 16 N -0.91 2.17 0.00 2.29 2.88 0.44 -4.50 113.62 116.00 2h3j n SER 16 Ca -0.08 1.14 0.05 0.00 -1.33 0.00 0.00 58.87 58.64 2h3j n SER 16 Cb 0.57 -1.34 0.28 0.00 -0.75 0.00 0.00 64.21 62.97 2h3j n SER 16 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 2h3j n PRO 17 N 2.01 0.39 -0.06 -1.46 -0.02 -1.26 -1.41 135.00 133.19 2h3j n PRO 17 Ca 0.13 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.64 2h3j n PRO 17 Cb 0.28 -1.37 0.06 0.00 -0.02 0.00 0.00 33.50 32.45 2h3j n PRO 17 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2h3j n ALA 18 N -0.87 2.22 -2.26 3.55 0.00 -1.26 -5.03 120.51 116.85 2h3j n ALA 18 Ca 0.07 -0.90 -0.32 0.00 0.00 0.00 0.00 53.44 52.29 2h3j n ALA 18 Cb 0.03 -0.20 -0.06 0.00 0.00 0.00 0.00 19.45 19.23 2h3j n ALA 18 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2h3j s ILE 19 N -0.82 4.79 0.41 0.00 2.07 -0.50 -5.08 121.20 122.08 2h3j s ILE 19 Ca 0.10 0.72 -0.04 0.00 -1.41 0.00 0.00 60.65 60.01 2h3j s ILE 19 Cb 0.05 -3.62 -0.04 0.00 0.13 0.00 0.00 42.46 38.98 2h3j s ILE 19 CO 0.07 -0.17 0.69 -0.55 -1.91 0.00 0.00 174.94 173.07 2h3j s SER 20 N -2.40 6.32 0.22 4.50 0.15 -1.26 -4.96 113.70 116.28 2h3j s SER 20 Ca 0.51 0.80 -0.08 0.00 0.70 0.00 0.00 55.95 57.88 2h3j s SER 20 Cb -0.11 -2.19 0.31 0.00 -1.71 0.00 0.00 66.02 62.33 2h3j s SER 20 CO 0.20 -0.43 1.78 0.78 1.20 0.00 0.00 173.24 176.77 2h3j h ASN 21 N 0.67 0.44 -0.31 5.45 -0.26 -1.99 -1.11 115.58 118.47 2h3j h ASN 21 Ca -0.48 0.06 -0.09 0.00 -0.56 0.00 0.00 56.30 55.23 2h3j h ASN 21 Cb 1.20 -0.02 -0.02 0.00 -1.06 0.00 0.00 38.32 38.43 2h3j h ASN 21 CO 0.62 0.26 -0.09 1.23 -1.06 0.00 0.00 177.43 178.39 2h3j h GLY 22 N 0.58 0.79 1.90 2.83 0.00 -1.99 -0.49 103.07 106.70 2h3j h GLY 22 Ca 0.33 -0.57 -0.14 0.00 0.00 0.00 0.00 47.33 46.95 2h3j h GLY 22 CO -0.26 0.53 -0.64 -1.82 0.00 0.00 0.00 176.54 174.35 2h3j h TYR 23 N 0.67 0.13 -0.55 5.60 5.03 -1.82 -0.31 116.97 125.72 2h3j h TYR 23 Ca 0.12 -0.05 -0.02 0.00 2.58 0.00 0.00 58.73 61.36 2h3j h TYR 23 Cb 0.55 -0.02 -0.03 0.00 1.55 0.00 0.00 36.73 38.78 2h3j h TYR 23 CO 0.03 0.71 0.28 -0.09 -1.32 0.00 0.00 178.16 177.77 2h3j h ARG 24 N 0.07 0.78 -0.76 1.82 2.43 -0.71 0.03 114.38 118.04 2h3j h ARG 24 Ca -0.01 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 2h3j h ARG 24 Cb 1.15 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 30.52 2h3j h ARG 24 CO 0.09 0.62 0.45 1.96 -1.51 0.00 0.00 179.97 181.58 2h3j h GLN 25 N 0.74 1.05 -0.24 0.20 4.20 -0.63 0.28 115.11 120.70 2h3j h GLN 25 Ca 0.19 -0.10 0.03 0.00 0.06 0.00 0.00 58.65 58.82 2h3j h GLN 25 Cb 0.08 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.62 2h3j h GLN 25 CO -0.03 0.75 0.07 -0.09 -0.67 0.00 0.00 178.83 178.87 2h3j h ARG 26 N 1.05 0.17 -0.52 1.46 9.65 -0.70 -0.55 114.38 124.94 2h3j h ARG 26 Ca 0.27 -0.01 -0.12 0.00 -1.10 0.00 0.00 59.98 59.02 2h3j h ARG 26 Cb -0.02 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.51 2h3j h ARG 26 CO -0.05 0.12 -0.14 -0.07 2.80 0.00 0.00 179.97 182.62 2h3j h LEU 27 N 0.18 1.03 -0.38 3.80 3.38 -0.42 -0.42 115.31 122.48 2h3j h LEU 27 Ca 0.11 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2h3j h LEU 27 Cb 0.08 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 2h3j h LEU 27 CO -0.12 1.16 0.24 0.15 0.09 0.00 0.00 178.44 179.97 2h3j h PHE 28 N 0.89 0.49 -0.09 1.13 3.04 -0.28 0.32 116.94 122.43 2h3j h PHE 28 Ca 0.13 0.01 -0.07 0.00 3.98 0.00 0.00 57.97 62.02 2h3j h PHE 28 Cb 0.72 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 39.05 2h3j h PHE 28 CO 0.05 0.32 -0.25 0.77 -2.02 0.00 0.00 178.31 177.18 2h3j h SER 29 N 0.51 0.16 0.85 0.41 0.02 -0.84 -1.70 113.55 112.96 2h3j h SER 29 Ca 0.14 -0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 60.99 2h3j h SER 29 Cb -0.04 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 2h3j h SER 29 CO -0.03 0.42 -0.25 0.24 -1.14 0.00 0.00 176.83 176.07 2h3j h MET 30 N 0.15 0.00 0.00 3.45 2.86 -0.37 -3.46 114.93 117.56 2h3j h MET 30 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2h3j h MET 30 Cb 0.53 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.19 2h3j h MET 30 CO 0.04 0.25 0.00 0.41 1.06 0.00 0.00 176.91 178.67 2h3j n GLY 31 N 0.09 1.14 3.34 8.32 0.00 -0.47 -5.07 105.19 112.53 2h3j n GLY 31 Ca -0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 2h3j n GLY 31 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2h3j s LEU 32 N 0.00 6.09 0.05 0.99 1.43 0.10 -4.98 118.68 122.36 2h3j s LEU 32 Ca 0.00 -1.93 -0.03 0.00 -1.03 0.00 0.00 54.13 51.14 2h3j s LEU 32 Cb 0.00 -2.24 -0.02 0.00 0.03 0.00 0.00 46.19 43.96 2h3j s LEU 32 CO 0.00 -0.86 0.04 -1.48 0.23 0.00 0.00 176.35 174.27 2h3j s LEU 33 N 1.57 2.12 0.37 1.79 0.05 -1.26 -3.51 118.68 119.81 2h3j s LEU 33 Ca 0.10 -0.77 -0.28 0.00 0.05 0.00 0.00 54.13 53.22 2h3j s LEU 33 Cb -0.23 0.42 -0.11 0.00 -2.05 0.00 0.00 46.19 44.22 2h3j s LEU 33 CO 0.00 -0.56 1.50 -0.81 -0.55 0.00 0.00 176.35 175.93 2h3j n PRO 34 N 0.41 2.67 0.00 1.48 -0.04 -1.26 -3.20 135.00 135.06 2h3j n PRO 34 Ca -0.17 0.94 0.00 0.00 -0.04 0.00 0.00 63.50 64.23 2h3j n PRO 34 Cb 0.60 -2.67 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 2h3j n PRO 34 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2h3j n GLY 35 N 0.67 2.59 2.98 0.55 0.00 0.85 -4.99 105.19 107.84 2h3j n GLY 35 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 2h3j n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h3j n ALA 36 N -0.71 -0.59 -3.63 4.61 0.00 -1.19 -4.83 120.51 114.17 2h3j n ALA 36 Ca 0.00 -1.41 -0.11 0.00 0.00 0.00 0.00 53.44 51.92 2h3j n ALA 36 Cb 0.00 0.07 -0.07 0.00 0.00 0.00 0.00 19.45 19.45 2h3j n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h3j s ALA 37 N -3.58 -1.80 -0.06 0.00 0.00 -1.26 -0.80 121.76 114.26 2h3j s ALA 37 Ca 0.55 2.20 0.00 0.00 0.00 0.00 0.00 51.96 54.71 2h3j s ALA 37 Cb -0.02 -1.29 -0.03 0.00 0.00 0.00 0.00 23.12 21.78 2h3j s ALA 37 CO 0.38 -0.35 -0.03 -0.51 0.00 0.00 0.00 175.76 175.24 2h3j s LEU 38 N 1.01 3.40 -0.17 0.00 2.01 0.62 -4.72 118.68 120.83 2h3j s LEU 38 Ca -0.05 0.04 -0.04 0.00 0.01 0.00 0.00 54.13 54.09 2h3j s LEU 38 Cb -0.05 -1.81 -0.03 0.00 0.01 0.00 0.00 46.19 44.31 2h3j s LEU 38 CO -0.10 0.35 -0.03 -0.60 1.01 0.00 0.00 176.35 176.99 2h3j s ARG 39 N -1.02 3.64 0.09 1.70 3.52 -0.81 -0.36 118.95 125.70 2h3j s ARG 39 Ca 0.14 -0.53 -0.31 0.00 -0.13 0.00 0.00 55.73 54.91 2h3j s ARG 39 Cb -0.11 -2.97 -0.08 0.00 -1.56 0.00 0.00 34.95 30.23 2h3j s ARG 39 CO 0.04 0.15 1.50 0.54 -0.81 0.00 0.00 175.30 176.71 2h3j s VAL 40 N 0.62 3.17 -0.18 7.11 0.11 -0.26 -1.07 120.40 129.91 2h3j s VAL 40 Ca -0.02 0.75 -0.09 0.00 -2.93 0.00 0.00 61.98 59.68 2h3j s VAL 40 Cb -0.14 -3.48 -0.08 0.00 -1.53 0.00 0.00 36.38 31.15 2h3j s VAL 40 CO 0.02 0.03 -0.24 0.52 -3.33 0.00 0.00 175.10 172.10 2h3j n VAL 41 N 4.30 1.04 -3.53 2.04 0.31 0.19 -3.44 118.33 119.25 2h3j n VAL 41 Ca 0.13 -0.23 -0.11 0.00 -0.01 0.00 0.00 64.34 64.12 2h3j n VAL 41 Cb 0.41 -1.78 -0.03 0.00 -0.91 0.00 0.00 33.84 31.53 2h3j n VAL 41 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2h3j s ARG 42 N -2.36 1.17 0.01 5.55 0.52 -0.31 -4.71 118.95 118.82 2h3j s ARG 42 Ca -0.25 -0.56 0.05 0.00 -0.52 0.00 0.00 55.73 54.45 2h3j s ARG 42 Cb 0.09 0.53 -0.02 0.00 0.52 0.00 0.00 34.95 36.08 2h3j s ARG 42 CO 0.32 -0.48 -0.17 0.42 0.02 0.00 0.00 175.30 175.41 2h3j s ILE 43 N -3.69 1.33 0.17 1.52 1.01 -1.26 0.18 121.20 120.46 2h3j s ILE 43 Ca 0.01 -0.89 -0.25 0.00 0.00 0.00 0.00 60.65 59.53 2h3j s ILE 43 Cb 0.00 -1.14 -0.08 0.00 0.01 0.00 0.00 42.46 41.25 2h3j s ILE 43 CO -0.12 0.24 0.78 0.00 0.00 0.00 0.00 174.94 175.84 2h3j s ALA 44 N -0.59 3.45 -1.26 9.38 0.00 -1.26 -4.94 121.76 126.53 2h3j s ALA 44 Ca 0.05 0.35 0.09 0.00 0.00 0.00 0.00 51.96 52.45 2h3j s ALA 44 Cb -0.07 -2.95 0.41 0.00 0.00 0.00 0.00 23.12 20.51 2h3j s ALA 44 CO 0.00 0.29 1.20 -0.35 0.00 0.00 0.00 175.76 176.91 2h3j n PRO 45 N 1.54 0.08 0.17 0.00 -0.04 -1.26 -1.90 135.00 133.58 2h3j n PRO 45 Ca -0.05 0.26 0.14 0.00 -0.04 0.00 0.00 63.50 63.81 2h3j n PRO 45 Cb 0.49 -1.50 0.71 0.00 -0.04 0.00 0.00 33.50 33.16 2h3j n PRO 45 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2h3j h LEU 46 N 0.00 0.00 0.00 1.53 4.07 -2.03 -3.46 115.31 115.41 2h3j h LEU 46 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2h3j h LEU 46 Cb 0.11 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.85 2h3j h LEU 46 CO 0.00 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.97 2h3j n GLY 47 N -1.53 -0.27 3.49 0.83 0.00 -0.80 -5.08 105.19 101.82 2h3j n GLY 47 Ca 0.02 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2h3j n GLY 47 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2h3j s ASP 48 N -2.79 -0.48 0.00 1.61 -4.77 -1.24 -4.76 116.67 104.23 2h3j s ASP 48 Ca 0.00 0.71 0.00 0.00 -3.30 0.00 0.00 52.55 49.96 2h3j s ASP 48 Cb 0.00 1.42 0.00 0.00 -1.09 0.00 0.00 42.92 43.25 2h3j s ASP 48 CO 0.00 -0.10 0.00 -0.81 0.70 0.00 0.00 175.17 174.96 2h3j n PRO 49 N 4.37 3.32 -3.52 2.11 -0.04 -1.26 -4.61 135.00 135.37 2h3j n PRO 49 Ca -0.13 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.08 2h3j n PRO 49 Cb 0.55 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.87 2h3j n PRO 49 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2h3j s ILE 50 N 0.87 -0.16 -0.25 0.52 1.01 -0.01 -4.57 121.20 118.61 2h3j s ILE 50 Ca 0.00 -0.55 -0.29 0.00 0.00 0.00 0.00 60.65 59.81 2h3j s ILE 50 Cb 0.00 -0.88 0.01 0.00 0.01 0.00 0.00 42.46 41.59 2h3j s ILE 50 CO 0.00 -0.56 1.09 -1.58 0.00 0.00 0.00 174.94 173.89 2h3j s GLN 51 N 2.18 4.18 0.28 2.79 2.00 0.13 -2.53 119.66 128.69 2h3j s GLN 51 Ca 0.08 1.31 0.03 0.00 -2.00 0.00 0.00 55.36 54.77 2h3j s GLN 51 Cb -0.16 -3.69 -0.04 0.00 0.80 0.00 0.00 33.01 29.92 2h3j s GLN 51 CO -0.29 -0.74 0.16 0.14 -0.50 0.00 0.00 175.29 174.06 2h3j s VAL 52 N 3.42 0.25 0.02 1.34 -7.23 0.13 0.52 120.40 118.86 2h3j s VAL 52 Ca 0.46 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.70 2h3j s VAL 52 Cb -0.15 -2.52 -0.02 0.00 0.56 0.00 0.00 36.38 34.25 2h3j s VAL 52 CO 0.11 0.00 -0.20 -0.70 -0.31 0.00 0.00 175.10 173.99 2h3j s GLU 53 N -3.86 1.48 -0.12 4.82 2.56 -0.23 0.14 118.70 123.48 2h3j s GLU 53 Ca 0.37 -0.85 0.02 0.00 0.00 0.00 0.00 54.97 54.50 2h3j s GLU 53 Cb 0.05 -1.52 -0.09 0.00 2.00 0.00 0.00 34.13 34.57 2h3j s GLU 53 CO 0.17 0.40 -0.10 2.41 -0.56 0.00 0.00 175.26 177.58 2h3j n THR 54 N 2.13 0.72 0.00 -1.70 -1.04 -1.26 -1.92 114.28 111.22 2h3j n THR 54 Ca -0.16 -0.29 0.00 0.00 -2.04 0.00 0.00 64.05 61.56 2h3j n THR 54 Cb 0.53 -0.93 0.00 0.00 -1.82 0.00 0.00 70.33 68.11 2h3j n THR 54 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 2h3j n ARG 55 N -2.83 0.00 0.00 -2.82 1.85 -1.26 -4.97 116.66 106.63 2h3j n ARG 55 Ca -0.22 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.63 2h3j n ARG 55 Cb 0.74 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.15 2h3j n ARG 55 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2h3j n GLN 56 N 0.00 3.11 -3.66 2.89 1.13 -1.26 -5.07 117.38 114.51 2h3j n GLN 56 Ca 0.00 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 54.97 2h3j n GLN 56 Cb 0.00 -0.40 -0.09 0.00 0.11 0.00 0.00 30.24 29.86 2h3j n GLN 56 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 2h3j s THR 57 N -0.55 -0.02 0.22 5.09 -1.32 -1.26 -5.14 115.64 112.67 2h3j s THR 57 Ca 0.00 0.04 -0.30 0.00 -1.21 0.00 0.00 61.69 60.22 2h3j s THR 57 Cb 0.00 -0.82 -0.08 0.00 -1.51 0.00 0.00 72.50 70.08 2h3j s THR 57 CO 0.00 0.02 1.05 -0.44 -2.21 0.00 0.00 174.62 173.03 2h3j s SER 58 N 1.54 7.39 0.40 8.08 0.01 -1.26 -3.98 113.70 125.87 2h3j s SER 58 Ca -0.10 2.09 0.04 0.00 1.31 0.00 0.00 55.95 59.28 2h3j s SER 58 Cb -0.07 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.51 2h3j s SER 58 CO -0.17 -0.08 0.07 -0.76 0.41 0.00 0.00 173.24 172.71 2h3j s LEU 59 N -0.89 2.18 0.13 2.44 1.43 0.12 -4.93 118.68 119.15 2h3j s LEU 59 Ca 0.45 -1.54 0.02 0.00 -1.03 0.00 0.00 54.13 52.03 2h3j s LEU 59 Cb -0.29 -0.37 -0.04 0.00 0.03 0.00 0.00 46.19 45.52 2h3j s LEU 59 CO 0.36 -0.77 -0.05 0.00 0.23 0.00 0.00 176.35 176.12 2h3j s ALA 60 N -3.15 1.17 0.10 4.21 0.00 -1.26 0.17 121.76 123.00 2h3j s ALA 60 Ca 0.26 -1.44 -0.14 0.00 0.00 0.00 0.00 51.96 50.64 2h3j s ALA 60 Cb 0.05 0.25 0.02 0.00 0.00 0.00 0.00 23.12 23.44 2h3j s ALA 60 CO 0.13 -0.23 0.34 -0.48 0.00 0.00 0.00 175.76 175.51 2h3j s LEU 61 N -3.10 0.72 0.51 0.00 0.05 -1.05 -4.90 118.68 110.91 2h3j s LEU 61 Ca 0.16 -0.35 0.06 0.00 0.05 0.00 0.00 54.13 54.06 2h3j s LEU 61 Cb 0.05 1.56 0.02 0.00 -2.05 0.00 0.00 46.19 45.77 2h3j s LEU 61 CO -0.01 -0.77 0.39 -0.13 -0.55 0.00 0.00 176.35 175.28 2h3j s ARG 62 N -3.49 2.30 0.28 1.48 3.00 -1.26 -0.83 118.95 120.42 2h3j s ARG 62 Ca 0.01 -1.91 -0.03 0.00 0.00 0.00 0.00 55.73 53.80 2h3j s ARG 62 Cb 0.02 -2.16 0.37 0.00 0.00 0.00 0.00 34.95 33.18 2h3j s ARG 62 CO -0.09 -0.51 1.89 0.07 0.00 0.00 0.00 175.30 176.65 2h3j h ARG 63 N 0.84 1.04 -0.05 3.54 0.11 -1.94 0.38 114.38 118.29 2h3j h ARG 63 Ca -0.38 -0.13 -0.00 0.00 0.10 0.00 0.00 59.98 59.57 2h3j h ARG 63 Cb 1.29 -0.20 -0.00 0.00 1.11 0.00 0.00 29.97 32.17 2h3j h ARG 63 CO 0.58 0.78 0.01 -0.22 0.10 0.00 0.00 179.97 181.22 2h3j h LYS 64 N 1.05 0.08 -0.83 0.08 1.63 -1.98 -1.22 116.57 115.38 2h3j h LYS 64 Ca 0.26 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 60.02 2h3j h LYS 64 Cb 0.06 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.64 2h3j h LYS 64 CO -0.04 0.28 0.43 0.22 -3.45 0.00 0.00 179.45 176.89 2h3j h ASP 65 N -0.13 1.06 -0.59 4.20 3.58 -1.85 -2.12 116.42 120.56 2h3j h ASP 65 Ca 0.02 -0.11 -0.05 0.00 0.42 0.00 0.00 57.03 57.31 2h3j h ASP 65 Cb 0.24 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 40.99 2h3j h ASP 65 CO 0.00 0.87 0.21 0.25 -2.88 0.00 0.00 179.24 177.68 2h3j h LEU 66 N 1.17 0.87 -0.11 2.28 5.85 -0.15 -2.07 115.31 123.15 2h3j h LEU 66 Ca 0.29 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2h3j h LEU 66 Cb 0.07 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.87 2h3j h LEU 66 CO -0.04 0.81 0.00 0.00 -0.34 0.00 0.00 178.44 178.87 2h3j n ALA 67 N -2.45 1.77 0.09 1.25 0.00 -0.47 -2.26 120.51 118.44 2h3j n ALA 67 Ca 0.05 -0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.51 2h3j n ALA 67 Cb 0.20 -1.30 -0.01 0.00 0.00 0.00 0.00 19.45 18.34 2h3j n ALA 67 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2h3j h LEU 68 N 0.00 0.00 -8.78 0.00 3.38 -1.14 -3.41 115.31 105.35 2h3j h LEU 68 Ca 0.00 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.30 2h3j h LEU 68 Cb 0.32 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 40.82 2h3j h LEU 68 CO 0.00 0.34 -0.76 -0.76 0.09 0.00 0.00 178.44 177.35 2h3j s LEU 69 N -5.84 2.74 -0.33 1.67 1.43 -0.96 -0.42 118.68 116.98 2h3j s LEU 69 Ca 0.00 -0.25 -0.21 0.00 -1.03 0.00 0.00 54.13 52.65 2h3j s LEU 69 Cb 0.08 -1.59 -0.00 0.00 0.03 0.00 0.00 46.19 44.72 2h3j s LEU 69 CO 0.78 0.26 0.64 -0.89 0.23 0.00 0.00 176.35 177.37 2h3j s THR 70 N -0.24 4.90 -0.12 5.49 2.01 -0.10 -4.72 115.64 122.87 2h3j s THR 70 Ca 0.01 0.72 -0.01 0.00 0.31 0.00 0.00 61.69 62.72 2h3j s THR 70 Cb -0.13 -4.05 -0.03 0.00 0.01 0.00 0.00 72.50 68.30 2h3j s THR 70 CO 0.03 -0.24 -0.07 -0.76 -0.69 0.00 0.00 174.62 172.88 2h3j s LEU 71 N 2.69 3.08 -0.26 4.42 1.43 -1.26 -1.06 118.68 127.72 2h3j s LEU 71 Ca 0.25 -0.14 -0.02 0.00 -1.03 0.00 0.00 54.13 53.19 2h3j s LEU 71 Cb -0.15 -1.70 0.03 0.00 0.03 0.00 0.00 46.19 44.40 2h3j s LEU 71 CO 0.14 0.24 -0.04 0.68 0.23 0.00 0.00 176.35 177.59 2h3j s VAL 72 N -0.05 2.98 0.87 -1.59 -7.23 0.14 -4.91 120.40 110.60 2h3j s VAL 72 Ca -0.00 -1.01 -0.11 0.00 -1.81 0.00 0.00 61.98 59.04 2h3j s VAL 72 Cb -0.13 -2.53 0.11 0.00 0.56 0.00 0.00 36.38 34.39 2h3j s VAL 72 CO 0.03 0.17 1.09 -2.16 -0.31 0.00 0.00 175.10 173.92 2h3j s PRO 73 N 1.34 1.46 0.00 4.82 0.04 -1.26 -0.62 135.00 140.77 2h3j s PRO 73 Ca 0.00 1.02 0.21 0.00 0.04 0.00 0.00 61.00 62.27 2h3j s PRO 73 Cb -0.17 -1.82 1.28 0.00 0.04 0.00 0.00 34.50 33.84 2h3j s PRO 73 CO -0.04 -2.16 1.72 1.28 0.04 0.00 0.00 177.00 177.84 2h3j n LEU 74 N -3.85 0.00 -0.54 -3.56 4.77 -0.36 -4.79 117.00 108.66 2h3j n LEU 74 Ca 0.08 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.13 2h3j n LEU 74 Cb 0.54 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.69 2h3j n LEU 74 CO 0.54 0.00 0.46 -0.67 -1.33 0.00 0.00 177.39 176.40